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890091-48-2 | 4-Chloro-5-phenyl-7-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine
CAS No: 890091-48-2 Catalog No: AG01FMQY MDL No:MFCD03030416
Product Description
Catalog Number:
AG01FMQY
Chemical Name:
4-Chloro-5-phenyl-7-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine
CAS Number:
890091-48-2
Molecular Formula:
C19H14ClN3
Molecular Weight:
319.7876
MDL Number:
MFCD03030416
IUPAC Name:
4-chloro-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C19H14ClN3/c1-13-7-9-15(10-8-13)23-11-16(14-5-3-2-4-6-14)17-18(20)21-12-22-19(17)23/h2-12H,1H3
InChI Key:
YXFXRKMVZRLEBX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1cc(c2c1ncnc2Cl)c1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.792g/mol
Monoisotopic Mass:
319.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Synthesis and kinetic testing of new inhibitors for a metallo-β-lactamase from Klebsiella pneumonia and Pseudomonas aeruginosa. | European journal of medicinal chemistry 20111201 |
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